SCHEMBL20183377

SCHEMBL20183377

CC(c1ccccc1)N1C[C@@H](NC(=O)O)C(C)(C)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.42
DRD4 P21917 1/20 0.40
KMT2A Q03164 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MC4R P32245 1/20 0.39
MAPT P10636 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
POLB P06746 2/20 0.36
GRM7 Q14831 2/20 0.36
TSHR P16473 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20183415 1.00 CYP2D6 (0.42) CYP2D6DRD4KMT2AOPRM1OPRD1
SCHEMBL20183414 1.00 CYP2D6 (0.42) CYP2D6DRD4KMT2AOPRM1OPRD1
SCHEMBL20183378 1.00 CYP2D6 (0.42) CYP2D6DRD4KMT2AOPRM1OPRD1
SCHEMBL20183375 1.00 CYP2D6 (0.42) CYP2D6DRD4KMT2AOPRM1OPRD1
SCHEMBL28219378 0.84 EPHX2 (0.40) CYP2D6DRD4KMT2A
SCHEMBL28219353 0.84 EPHX2 (0.40) CYP2D6DRD4KMT2A
SCHEMBL3179052 0.84 EPHX2 (0.40) CYP2D6DRD4KMT2A
SCHEMBL3179042 0.84 EPHX2 (0.40) CYP2D6DRD4KMT2A
SCHEMBL20183317 0.83 CYP2D6 (0.47) CYP2D6DRD4KMT2AOPRM1OPRD1
SCHEMBL20183314 0.83 CYP2D6 (0.47) CYP2D6DRD4KMT2AOPRM1OPRD1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10407430-B2 Janus kinase 1 selective inhibitor and pharmaceutical use thereof YANG JI CHEMICAL CO., LTD. (KR) 2019-09-10 US disclosed
US-20180237440-A1 JANUS KINASE 1 SELECTIVE INHIBITOR AND PHARMACEUTICAL USE THEREOF YANG JI CHEMICAL CO., LTD. (KR) 2018-08-23 US disclosed
EP-3327021-A1 JANUS KINASE 1 SELECTIVE INHIBITOR AND PHARMACEUTICAL USE THEREOF Yangji Chemical Co., Ltd. (KR) 2018-05-30 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10407430-B2 Janus kinase 1 selective inhibitor and pharmaceutical use thereof JAK1, JAK2, JAK3 CYP2D6 1311/4885DRD4 4869/4885KMT2A 1054/4885
US-20180237440-A1 JANUS KINASE 1 SELECTIVE INHIBITOR AND PHARMACEUTICAL USE THEREOF JAK1, JAK2, JAK3 CYP2D6 1607/4885DRD4 4819/4885KMT2A 2046/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.